U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20O3
Molecular Weight 272.3389
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHALLENESTRILPHENOL, (+)-

SMILES

CC[C@H](C1=CC=C2C=C(O)C=CC2=C1)C(C)(C)C(O)=O

InChI

InChIKey=OKLBSPJQRWHBMY-OAHLLOKOSA-N
InChI=1S/C17H20O3/c1-4-15(17(2,3)16(19)20)13-6-5-12-10-14(18)8-7-11(12)9-13/h5-10,15,18H,4H2,1-3H3,(H,19,20)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H20O3
Molecular Weight 272.3389
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:31:54 GMT 2025
Edited
by admin
on Mon Mar 31 21:31:54 GMT 2025
Record UNII
99J6UB2GSM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-85446
Preferred Name English
METHALLENESTRILPHENOL, (+)-
Common Name English
2-NAPHTHALENEPROPANOIC ACID, .BETA.-ETHYL-6-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-, (.BETA.R)-
Common Name English
(+)-METHALLENESTRILPHENOL
Common Name English
(+)-3-(6-HYDROXY-2-NAPHTHYL)-2,2-DIMETHYLPENTANOIC ACID
Systematic Name English
2-NAPHTHALENEPROPIONIC ACID, .BETA.-ETHYL-6-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-, (+)-
Common Name English
2-NAPHTHALENEPROPANOIC ACID, .BETA.-ETHYL-6-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-, (+)-
Common Name English
Code System Code Type Description
FDA UNII
99J6UB2GSM
Created by admin on Mon Mar 31 21:31:54 GMT 2025 , Edited by admin on Mon Mar 31 21:31:54 GMT 2025
PRIMARY
PUBCHEM
3246291
Created by admin on Mon Mar 31 21:31:54 GMT 2025 , Edited by admin on Mon Mar 31 21:31:54 GMT 2025
PRIMARY
CAS
20664-58-8
Created by admin on Mon Mar 31 21:31:54 GMT 2025 , Edited by admin on Mon Mar 31 21:31:54 GMT 2025
PRIMARY
NSC
85446
Created by admin on Mon Mar 31 21:31:54 GMT 2025 , Edited by admin on Mon Mar 31 21:31:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID601030810
Created by admin on Mon Mar 31 21:31:54 GMT 2025 , Edited by admin on Mon Mar 31 21:31:54 GMT 2025
PRIMARY